3,6-diamino-2-benzoyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Chemical Structure Depiction of
3,6-diamino-2-benzoyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
3,6-diamino-2-benzoyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile
Compound characteristics
| Compound ID: | 8008-8288 |
| Compound Name: | 3,6-diamino-2-benzoyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carbonitrile |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C24 H20 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1c(C#N)c(N)nc2c1c(c(C(c1ccccc1)=O)s2)N |
| Stereo: | ACHIRAL |
| logP: | 3.7422 |
| logD: | 3.7421 |
| logSw: | -4.5543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 103.271 |
| InChI Key: | NXJHEBISXLQOSK-UHFFFAOYSA-N |